4-methyltridec-3-en-5-ol

C14H28O — CID 54483409

IUPAC4-methyltridec-3-en-5-ol
SMILESCCC=C(C)C(O)CCCCCCCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-12-14(15)13(3)11-5-2/h11,14-15H,4-10,12H2,1-3H3
InChIKeyXQPOLCNJUSUGOZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.45
Rot. Bonds9

About 4-methyltridec-3-en-5-ol

4-methyltridec-3-en-5-ol (PubChem CID 54483409) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-methyltridec-3-en-5-ol.

Molecular Properties

Compound Name4-methyltridec-3-en-5-ol
PubChem CID54483409
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-methyltridec-3-en-5-ol
SMILESCCC=C(C)C(O)CCCCCCCC
InChIInChI=1S/C14H28O/c1-4-6-7-8-9-10-12-14(15)13(3)11-5-2/h11,14-15H,4-10,12H2,1-3H3
InChIKeyXQPOLCNJUSUGOZ-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyltridec-3-en-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyltridec-3-en-5-ol?
The IUPAC name of 4-methyltridec-3-en-5-ol (CID 54483409) is 4-methyltridec-3-en-5-ol.
What is the SMILES notation for 4-methyltridec-3-en-5-ol?
The canonical SMILES for 4-methyltridec-3-en-5-ol is CCC=C(C)C(O)CCCCCCCC.
What is the InChIKey of 4-methyltridec-3-en-5-ol?
The InChIKey is XQPOLCNJUSUGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-6-7-8-9-10-12-14(15)13(3)11-5-2/h11,14-15H,4-10,12H2,1-3H3.
What are the key properties of 4-methyltridec-3-en-5-ol?
4-methyltridec-3-en-5-ol has a molecular weight of 212.38 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltridec-3-en-5-ol is sourced from PubChem (CID 54483409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).